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Coenzyme FO

CAT: 0127-BUP07465-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07465-06Size:200 mg
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CAS Number
37333-48-5
Purity
=95%
Smiles
C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C=2C(=CC=3C1=CC(O)=CC3)C(=O)NC(=O)N2

Chemical Information

7,8-Didemethyl-8-hydroxy-5-deazariboflavin

7,8-didemethyl-8-hydroxy-5-deazariboflavin is riboflavin in which the nitrogen at position 5 is replaced by CH and the methyl groups at positions 7 and 8 are substituted by hydrogen and hydroxy, respectively. It has a role as a prosthetic group. It is functionally related to a riboflavin. It is a conjugate acid of a 7,8-didemethyl-8-hydroxy-5-deazariboflavin(1-).

CAS Number37333-48-5
PubChem CID448701
IUPAC Name10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-1H-pyrimido[4,5-b]quinoline-2,4,8-trione
Molecular FormulaC16H17N3O7
Molecular Weight363.32
XLogP-3
Topological Polar Surface Area159
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity796
SMILES
C1=CC(=O)C=C2C1=CC3=C(N2C[C@@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)NC3=O
InChI
InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20,22-24H,5-6H2,(H2,17,18,25,26)/t11-,12+,13-/m0/s1
InChIKey
HJMIIBXYFPJZBP-XQQFMLRXSA-N
Chemical Structure
2D Structure
2D structure of 7,8-Didemethyl-8-hydroxy-5-deazariboflavin
CAS: 37333-48-5
CID: 448701
Formula: C16H17N3O7
MW: 363.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.32
XLogP3-3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass363.10664989
Monoisotopic Mass363.10664989
Topological Polar Surface Area159 Ų
Heavy Atom Count26
Formal Charge0
Complexity796
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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